File name: Pandora101s1_Izana_20231108_L2Fit_fout2c22d20230904p1-8.txt File generation date: 20240911T133131.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c22p1-8 Local principal investigator: Alberto Redondas Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 101 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora101_OF_v3d20220624.txt Instrument calibration file used: Pandora101s1_CF_v22d20230904.txt Level 1 file used: Pandora101s1_Izana_20231108_L1_smca1c22d20230904p1-8.txt Full location name: Izana Atmospheric Research Center Short location name: Izana Country of location: Spain Location latitude [deg]: 28.3090 Location longitude [deg]: -16.4994 Location altitude [m]: 2360 Local noon date: 20231108 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 12 fieldcal with sens applied First and last pixel inside fitting window: 222 363 Nominal wavelengths inside fitting window [nm]: 305.1209 305.2618 305.4026 305.5434 305.6843 305.8251 305.9659 306.1066 306.2474 306.3882 306.5289 306.6697 306.8104 306.9511 307.0918 307.2325 307.3732 307.5139 307.6545 307.7952 307.9358 308.0764 308.2170 308.3576 308.4982 308.6388 308.7794 308.9199 309.0605 309.2010 309.3415 309.4820 309.6225 309.7630 309.9035 310.0440 310.1844 310.3249 310.4653 310.6057 310.7461 310.8865 311.0269 311.1673 311.3076 311.4480 311.5883 311.7287 311.8690 312.0093 312.1496 312.2898 312.4301 312.5704 312.7106 312.8509 312.9911 313.1313 313.2715 313.4117 313.5519 313.6920 313.8322 313.9723 314.1125 314.2526 314.3927 314.5328 314.6729 314.8129 314.9530 315.0931 315.2331 315.3731 315.5131 315.6531 315.7931 315.9331 316.0731 316.2130 316.3530 316.4929 316.6329 316.7728 316.9127 317.0526 317.1924 317.3323 317.4722 317.6120 317.7518 317.8916 318.0315 318.1712 318.3110 318.4508 318.5906 318.7303 318.8701 319.0098 319.1495 319.2892 319.4289 319.5686 319.7082 319.8479 319.9875 320.1272 320.2668 320.4064 320.5460 320.6856 320.8252 320.9647 321.1043 321.2438 321.3833 321.5229 321.6624 321.8019 321.9413 322.0808 322.2203 322.3597 322.4991 322.6386 322.7780 322.9174 323.0568 323.1961 323.3355 323.4749 323.6142 323.7535 323.8928 324.0321 324.1714 324.3107 324.4500 324.5893 324.7285 324.8677 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20231108T073347.3Z 8712.315131 168 1 33.67 2 88.49 109.71 32.37 125.15 0.00 1 0.00 1 0 25 4.412e-01 7.325e-02 4.250e-01 5.915e-02 1.278589e+00 4.623737e-02 2.267573e-02 -6.000000e+00 3.093841e-01 224.33 -2.00 3.19 -2.00 322.34 0.00e+00 -5.474893e-02 2.677936e-02 3.310012e-02 -6.000000e+00 6.175345e-02 276.55 -2.00 20.00 -2.00 321.99 0.00e+00 17.689 0.057 302.00 328.00 3 -1.1448e+00 1.7261e-01 1.8777e-01 -6.0000e+00 7.9913e-01 2.6179e+00 2.1990e-01 8.0283e-02 -6.0000e+00 8.6856e-01 -1.9505e+00 2.0950e-01 3.0757e-02 -6.0000e+00 4.9954e-01 6.4903e-01 1.0079e-01 1.8481e-02 -6.0000e+00 2.3985e-01 4.2439e-07 -4.2831e-03 1.7695e-03 1.1042e-03 -6.0000e+00 1.5984e-02 2.1698e-03 0.0000e+00 12 9 9 12 1 1 -145.72 21.27 10.86 0.00217 -0.03002 11 4 1 5 0 2805.670 21.27 14.99 14.77 15.66 0.0 932.87 900000 900000 -127706 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 140773 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 -87010 900000 900000 900000 -75062 900000 900000 900000 900000 900000 900000 900000 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3.5654e-02 -6.0000e+00 4.7365e-01 7.3790e-01 3.7962e-02 1.0655e-02 -6.0000e+00 2.0954e-01 1.5852e-06 -1.9259e-03 7.3636e-04 2.4070e-04 -6.0000e+00 1.4277e-02 1.7949e-04 0.0000e+00 12 9 9 12 1 1 -5.70 21.27 3.68 0.00018 -0.01429 72 19 1 5 0 647.960 21.27 15.00 14.77 15.88 0.0 935.49 6671 900000 -60449 900000 -113766 168322 103680 -119809 900000 22759 900000 -72421 900000 17747 900000 23949 900000 30496 900000 65830 900000 900000 -31106 900000 10450 900000 66856 900000 -13611 900000 19402 900000 -36050 900000 -47325 900000 900000 128768 900000 900000 900000 89922 900000 79919 900000 -42335 900000 -37519 900000 13658 182775 20938 91515 69989 90785 137264 -39 129121 39942 900000 -32153 179825 -12958 31853 -25605 27806 26774 25906 13721 31294 13631 30434 7997 9598 39581 -9800 43994 3541 50523 -8242 16740 11715 14426 -5122 -602 3627 4350 8458 -9669 5136 -18128 1365 -17582 12731 -11748 215 -3510 3978 -71 4594 -4671 -4712 3007 -111 -734 -5115 -545 -6215 3338 -6196 3906 -1234 4460 -882 1018 -7187 -2925 1551 -1062 1070 842 7365 -3009 7215 -763 6683 -2854 1412 -876 2719 -1827 1282 -1629 1063 963 -307 992 -737 1263 -2637 1495 -1721 180 900000 -2178 900000 -4611 4548 2802 -5396 900000 615 900000 -2446 900000 480 900000 647 900000 824 900000 1779 900000 900000 -1223 900000 308 900000 1807 900000 -368 900000 524 900000 -2214 900000 -2790 900000 900000 3480 900000 900000 900000 2430 900000 2160 900000 -3536 900000 -3134 900000 805 4939 1440 3372 3439 4170 4080 -5 3838 2590 900000 -3910 4859 -1681 3013 -4497 2855 2894 3080 2113 4566 2505 4688 1426 1478 3850 -1377 3566 478 5188 -1871 3528 3007 3937 -1785 -210 1255 1528 2834 -3736 1596 -6613 398 -6461 3956 -5651 111 -2238 2741 -55 3327 -3345 -2890 1528 -59 -421 -3207 -349 -4686 2688 -6564 4338 -1574 5556 -1151 1266 -9555 -3841 2049 -1501 1460 1074 8140 -3545 7507 -840 6609 -3123 1702 -1323 4694 -3748 2796 -3984 2755 2442 -816 2613 -1976 3538 -7090 3474 -3753 SS 20231108T075246.0Z 8712.328310 178 1 51.84 2 84.59 112.06 29.19 131.76 0.00 1 0.00 1 0 25 7.229e-01 1.302e-02 5.218e-02 1.386e-03 8.974470e-01 7.682615e-04 9.005312e-03 -6.000000e+00 4.049652e-01 224.33 -2.00 3.19 -2.00 321.92 0.00e+00 4.969587e-03 4.165490e-04 1.189439e-03 -6.000000e+00 1.757065e-02 276.55 -2.00 20.00 -2.00 321.51 0.00e+00 9.317 0.008 302.00 328.00 3 1.7145e-01 2.8237e-03 8.3312e-02 -6.0000e+00 1.0013e+00 4.8274e-01 4.3299e-03 4.7304e-02 -6.0000e+00 1.0880e+00 -6.8688e-01 4.7783e-03 2.7010e-02 -6.0000e+00 6.4687e-01 2.8295e-01 2.1939e-03 1.0527e-02 -6.0000e+00 2.8195e-01 1.6799e-04 -1.2809e-03 3.5431e-05 1.2126e-04 -6.0000e+00 1.8702e-02 -1.5385e-03 0.0000e+00 12 8 8 10 0 0 8.62 21.27 0.43 -0.00154 -0.01116 1345 343 1 5 0 35.550 21.27 15.00 14.78 16.96 0.0 941.37 -205858 -228157 -175274 -238380 -200182 -247568 -218673 -234029 -214632 -227550 -214254 -187758 -165517 -123270 -110760 -74378 -86979 -45901 -83824 -52832 -88511 -60686 -85383 -66362 -69554 -63842 -73856 -74391 -62407 -60657 -41657 -25397 -10424 -19282 -21194 -33943 -4178 -17445 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